ChemSpider 2D Image | 1,4-Anhydro-2,5-dideoxy-2-(isopropylamino)-5-[(methylsulfonyl)amino]-D-arabinitol | C9H20N2O4S

1,4-Anhydro-2,5-dideoxy-2-(isopropylamino)-5-[(methylsulfonyl)amino]-D-arabinitol

  • Molecular FormulaC9H20N2O4S
  • Average mass252.331 Da
  • Monoisotopic mass252.114380 Da
  • ChemSpider ID29858561

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4-Anhydro-2,5-dideoxy-2-(isopropylamino)-5-[(methylsulfonyl)amino]-D-arabinitol [ACD/IUPAC Name]
1,4-Anhydro-2,5-didesoxy-2-(isopropylamino)-5-[(methylsulfonyl)amino]-D-arabinitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,5-didésoxy-2-(isopropylamino)-5-[(méthylsulfonyl)amino]-D-arabinitol [French] [ACD/IUPAC Name]
D-Arabinitol, 1,4-anhydro-2,5-dideoxy-2-[(1-methylethyl)amino]-5-[(methylsulfonyl)amino]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 421.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 208.9±31.5 °C
Index of Refraction: 1.521
Molar Refractivity: 61.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 200.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement